| SpectraBase Spectrum ID |
84fU9VR4wVe |
| Name |
Hexanedione<3,4-> |
| CAS Registry Number |
4437-51-8 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
114.068079560 u |
| Formula |
C6H10O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3 |
| InChIKey |
KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Weight |
114.144 g/mol |
| Nominal Mass |
114 u |
| Number of Peaks |
20 |
| SMILES |
CCC(C(CC)=O)=O |
| SPLASH |
splash10-0a4i-9000000000-85b9f4ddfc7a731f5c35 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001706 |
